Model name?
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000
Temperature (K)?
No temperature given
Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)?
No stress given
Runtime arguments (literal dictonary)?
No runtime arguments given
Initial parameters from query or test_generator (literal list of dicts)?
[
  {
    "prototype-label": {
      "source-value": "AB_hP38_156_7a6b6c_7a6b6c"
    },
    "stoichiometric-species": {
      "source-value": [
        "C",
        "Si"
      ]
    },
    "a": {
      "source-value": 3.094,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        15.543891,
        0.039430474,
        0.14470115,
        0.25001061,
        0.46061394,
        0.61850837,
        0.93416308,
        0.82891157,
        0.2105292,
        0.89471234,
        0.42103578,
        0.78942874,
        0.10526689,
        0.99997353,
        0.57893489,
        0.67100113,
        0.9869322,
        0.77632658,
        0.5657508,
        0.35534826,
        0.19746324,
        0.6315554,
        0.94735182,
        0.52627409,
        0.73684203,
        0.31577466,
        0.15789526,
        0.88167,
        0.7237717,
        0.51316777,
        0.40784222,
        0.30259195,
        0.09220804,
        0.26311478,
        0.36839622,
        0.47368651,
        0.052630088,
        0.68419366,
        0.84209103
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_114804105329_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 0.1201440178507669 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.


NOTE: The configuration you provided has a maximum stress component 0.024554737321905707 eV/angstrom^3 even though the nominal state of the system is unstressed. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 14:35:12     -243.602980        0.257634
LBFGSLineSearch:    1 14:35:15     -243.610995        0.183777
LBFGSLineSearch:    2 14:35:15     -243.625368        0.215541
LBFGSLineSearch:    3 14:35:15     -243.643202        0.178342
LBFGSLineSearch:    4 14:35:15     -243.652074        0.130335
LBFGSLineSearch:    5 14:35:15     -243.654414        0.046763
LBFGSLineSearch:    6 14:35:15     -243.654703        0.013840
LBFGSLineSearch:    7 14:35:15     -243.654763        0.011336
LBFGSLineSearch:    8 14:35:15     -243.654788        0.010530
LBFGSLineSearch:    9 14:35:16     -243.654811        0.010266
LBFGSLineSearch:   10 14:35:16     -243.654845        0.008791
LBFGSLineSearch:   11 14:35:16     -243.654868        0.011297
LBFGSLineSearch:   12 14:35:16     -243.654911        0.017071
LBFGSLineSearch:   13 14:35:16     -243.654971        0.010309
LBFGSLineSearch:   14 14:35:16     -243.655021        0.011477
LBFGSLineSearch:   15 14:35:16     -243.655039        0.006392
LBFGSLineSearch:   16 14:35:16     -243.655047        0.004911
LBFGSLineSearch:   17 14:35:16     -243.655051        0.002845
LBFGSLineSearch:   18 14:35:16     -243.655052        0.002972
LBFGSLineSearch:   19 14:35:16     -243.655054        0.001076
LBFGSLineSearch:   20 14:35:16     -243.655054        0.000529
LBFGSLineSearch:   21 14:35:16     -243.655054        0.000494
LBFGSLineSearch:   22 14:35:16     -243.655054        0.000397
LBFGSLineSearch:   23 14:35:16     -243.655054        0.000143
LBFGSLineSearch:   24 14:35:16     -243.655054        0.000264
LBFGSLineSearch:   25 14:35:16     -243.655054        0.000218
LBFGSLineSearch:   26 14:35:16     -243.655054        0.000075
LBFGSLineSearch:   27 14:35:16     -243.655054        0.000033
LBFGSLineSearch:   28 14:35:16     -243.655054        0.000019
LBFGSLineSearch:   29 14:35:16     -243.655054        0.000011
LBFGSLineSearch:   30 14:35:17     -243.655054        0.000039
LBFGSLineSearch:   31 14:35:17     -243.655055        0.000022
LBFGSLineSearch:   32 14:35:17     -243.655055        0.000009